{"title":"Structures, stability and electronic properties of the NH3 adsorbed and embedded NiBm−1Nm (m = 48, 72 and 96) tubular clusters","authors":"Jia-cong Li, Zhi Li, Zhen Zhao","doi":"10.1007/s11164-024-05341-2","DOIUrl":"https://doi.org/10.1007/s11164-024-05341-2","url":null,"abstract":"<p>The structures, stability and electronic properties of the Ni-doped boron nitride tubular clusters (NiB<sub><i>m</i>−1</sub>N<sub><i>m</i></sub>), NH<sub>3</sub> adsorption on the NiB<sub><i>m</i>−1</sub>N<sub><i>m</i></sub> (NH<sub>3</sub>NiB<sub><i>m</i>−1</sub>N<sub><i>m</i></sub>) and NH<sub>3</sub> embedded into the NiB<sub><i>m</i>−1</sub>N<sub><i>m</i></sub> (NH<sub>3</sub>@NiB<sub><i>m</i>−1</sub>N<sub><i>m</i></sub>) (<i>m</i> = 48, 72 and 96) clusters have been investigated by using density functional theory. The results reveal that the diameters of the NiB<sub><i>m</i>−1</sub>N<sub><i>m</i></sub> clusters have almost no effect on the NH<sub>3</sub> adsorption. The diameter of the NiB<sub>47</sub>N<sub>48</sub> clusters is small enough to accommodate the NH<sub>3</sub> molecules, and the appropriate diameter of the NiB<sub>71</sub>N<sub>72</sub> clusters occurs to embed the NH<sub>3</sub> molecules. The NH<sub>3</sub> molecules prefer to adsorb on rather than embed into the NiB<sub><i>m</i>−1</sub>N<sub><i>m</i></sub> clusters. The charge transfer between the NH<sub>3</sub> molecules and the NiB<sub><i>m</i>−1</sub>N<sub><i>m</i></sub> clusters is limit, in the range of 0.002–0.221 |<i>e</i>|. The adsorption between the NH<sub>3</sub> molecules and the NiB<sub><i>m</i>−1</sub>N<sub><i>m</i></sub> clusters is chemical process. In a word, the curvature effects of the Ni-doped boron nitride nanotubes with various diameters on NH<sub>3</sub> adsorption are restrict.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141717552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xiaolei Fu, Yan He, Zhulei Guo, Mingfan Chen, Wenlong Du, Yuqin Zeng, Dingzhong Yuan, Bing Na
{"title":"Facile synthesis of novel bi-heteroatom functionalized hyper-crosslinked porous polymers with efficient adsorption of methylene blue and methyl orange","authors":"Xiaolei Fu, Yan He, Zhulei Guo, Mingfan Chen, Wenlong Du, Yuqin Zeng, Dingzhong Yuan, Bing Na","doi":"10.1007/s11164-024-05346-x","DOIUrl":"https://doi.org/10.1007/s11164-024-05346-x","url":null,"abstract":"<p>In this work, we designed and synthesized two novel bi-heteroatom functionalized hyper-crosslinked porous polymers (HCP-CT and HCP-CF) through a simple one-step Friedel–Crafts alkylation reaction. The resulted polymers N/S bi-heteroatom functionalized polymer HCP-CT and N/O bi-heteroatom functionalized polymer HCP-CF both have good adsorption property for organic dyes such as methyl orange (MO) and methylene blue (MB) in aqueous solution due to its rich pore structure, high specific surface area and rich-heteroatoms of pore surface. It is worth mentioned that the maximum adsorption capacity (<i>q</i><sub>max</sub>) of cationic dye MB by the porous polymer HCP-CT at room temperature was reached up to 1571.46 mg/g, which is much higher than that of most reported porous materials. Furthermore, the adsorption capacity of HCP-CT for the cationic dye MB was more than seven times that of the anionic dye MO (<i>q</i><sub>max</sub> = 212.77 mg/g). Also, the polymer HCP-CF for the MB adsorption capacity (<i>q</i><sub>max</sub> = 352.11 mg/g) was more than twice higher than that of anionic dye MO (<i>q</i><sub>max</sub> = 131.75 mg/g). The above trends may be because of the stronger electrostatic interaction between the negatively charged N-S/O bi-heteroatom of HCP-CT and HCP-CF with the cationic dye MB than that of MO. In addition, the removal percentage of polymers HCP-CT and HCP-CF still remained above 80% after five adsorption–desorption cycles. Hence, this work may provide a convenient synthetic route to develop a novel hyper-crosslinked polymer with high capacity for the entrapment of dyes from aqueous solution.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141717550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Exploring the versatility of 5-sulfosalicylic acid dihydrate as catalyst in 3-pyrrolin-2-one Synthesis","authors":"Dhananjay D. Gadge, Pramod S. Kulkarni","doi":"10.1007/s11164-024-05348-9","DOIUrl":"https://doi.org/10.1007/s11164-024-05348-9","url":null,"abstract":"","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141642486","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Mesoporous Cu2O–CuO/O–g-C3N4 nanocomposite with enhanced peroxidase-like activity for the colorimetric H2O2 sensing","authors":"Shemeena Mullakkattuthodi, B. Narayanan","doi":"10.1007/s11164-024-05333-2","DOIUrl":"https://doi.org/10.1007/s11164-024-05333-2","url":null,"abstract":"","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141645385","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Hydrothermally synthesized MoS2 NFs toward efficient supercapacitor and fast photocatalytic degradation of MB","authors":"Pankaj Suthar, Dinesh Patidar","doi":"10.1007/s11164-024-05335-0","DOIUrl":"https://doi.org/10.1007/s11164-024-05335-0","url":null,"abstract":"<p>MoS<sub>2</sub> stands out as a distinctive material, owing to its two-dimensional structure, with promising potential across various domains notably in energy storage and photocatalysis. In the present work, a pH-assisted hydrothermal approach (one step) has been utilized to synthesize MoS<sub>2</sub> nanoflowers (NFs) using ammonium molybdate and thiourea. Characterization of the prepared MoS<sub>2</sub> NFs was conducted using XRD, FESEM, HRTEM, FTIR, Raman, UV–Vis, PL, BET and XPS techniques. XRD analysis reveals the hexagonal structure of the prepared NFs, while SEM & TEM images confirm the flower-like morphology consisting of many thin petals. Band gap energy determined through the absorption spectrum is 1.9 eV. Notably, the PL spectrum exhibits a strong and broad peak at 688 nm attributed to band-to-band transition indicating multilayer formation of MoS<sub>2</sub> NFs, which is further confirmed by Raman spectroscopy. XPS also confirms the formation of MoS<sub>2</sub> showing Mo<sup>+4</sup> and S<sup>−2</sup> valance states. The specific surface area of MoS<sub>2</sub> NFs is found to be 108.446 m<sup>2</sup> g<sup>−1</sup> that is very high compared to similar materials. Electrochemical properties of MoS<sub>2</sub> NFs were also investigated showing a specific capacitance of 761 F g<sup>−1</sup> at 4 A g<sup>−1</sup> with an energy density of 21 Wh kg<sup>−1</sup> and a power density of 886 Wkg<sup>−1</sup> for the MoS<sub>2</sub> NFs-based electrode. Moreover, photocatalytic degradation of MB using MoS<sub>2</sub> NFs at different weight contents (10, 15, 20 and 25 mg) was explored demonstrating highest 97% degradation of MB within 90 min with 20 mg photocatalyst loading along with 0.04 min<sup>−1</sup> reaction rate. It also shows good reusability for four consecutive cycles. Furthermore, photodegradation mechanism has also been explored.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141609395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sudabeh Dalirnasab, Ali Benvidi, Abbas Behjat, Marzieh Dehghan Tezerjani
{"title":"Comparison of electrochemical depositing and spin coating methods as electrode modification methods in order to ozone production and dye decomposition","authors":"Sudabeh Dalirnasab, Ali Benvidi, Abbas Behjat, Marzieh Dehghan Tezerjani","doi":"10.1007/s11164-024-05344-z","DOIUrl":"https://doi.org/10.1007/s11164-024-05344-z","url":null,"abstract":"<p>In the field of electrochemical ozone production, electrodes need to have exceptional catalytic activity, long-term stability, and cost-effectiveness. In this case, TiO2-NTs/SnO<sub>2</sub>-Sb<sub>2</sub>O<sub>5</sub>-NiO electrodes were fabricated using a combination of anodization, electrochemical deposition, spin coating and annealing techniques. The coating of electrodes was analyzed using EDS, XRD and SEM techniques. According to the obtained cyclic voltammetry (CV) data, the TiO2-NTs/SnO<sub>2</sub>-Sb<sub>2</sub>O<sub>5</sub>-NiO electrode revealed a less positive potential for oxygen evolution compared to other constructed electrodes. The conversion of Ti to Ti-NTs improved the ozone production efficiency and resulted in higher concentrations of water-soluble ozone. To evaluate the performance of the electrodes and the corresponding electrocatalytic activity, a textile dye was used as a pollutant. The most effective modified electrode proved to have an impressive decomposition rate of 96% for the cationic yellow 28 dye within a 60-min timeframe. Furthermore, this modified electrode could substantially remove chemical oxygen demand (COD) of up to 53.6% during 60-min electrolysis.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141609396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Martínez-de la Cruz, K. A. Reyna-Cavazos, E. López Cuéllar, R. Morales Ibarra
{"title":"Photocatalytic characterization of BiOCl and BiOBr prepared by polyol-assisted coprecipitation for the elimination of NOx from air","authors":"A. Martínez-de la Cruz, K. A. Reyna-Cavazos, E. López Cuéllar, R. Morales Ibarra","doi":"10.1007/s11164-024-05342-1","DOIUrl":"https://doi.org/10.1007/s11164-024-05342-1","url":null,"abstract":"<p>The BiOCl and BiOBr oxyhalides were prepared by simple coprecipitation in a rich polyol medium at 100 °C where glycerol was used as solvent and mannitol as additive to increase the concentration of –OH groups in the reaction medium. The characterization of the samples was performed by X-ray powder diffraction, scanning electron microscopy, diffusion reflectance spectroscopy, and the specific surface area was studied by <span>(hbox {N}_2)</span> adsorption–desorption isotherms following BET protocol. The photocatalytic activity of BiOCl and BiOBr was determined in the photooxidation of nitric oxide (NO) in air, obtaining values of nitric oxide conversion of 77% and 90%, respectively. The photocatalytic activity is associated to the higher concentration of –OH groups in the medium of reaction that induce a preferential orientation of the crystalline plane (110) in BiOCl and in the formation of the heterojunction <span>(hbox {BiOBr/B}_{24}hbox {O}_{31}hbox {Br}_{10})</span> in BiOBr. The highly selective reaction of NO photooxidation to innocuous <span>(hbox {NO}_3^-)</span> ions was confirmed with values of 96% BiOCl and 93% BiOBr. Electron paramagnetic resonance measurements determined that the highly oxygen reactive hydroxyl (<span>(cdot hbox {OH})</span>) and superoxide (<span>(cdot hbox {O}_2^-)</span>) radicals rule the NO oxidation photocatalyzed by BiOCl and BiOBr oxyhalides.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141584679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Mg0.5Zn0.375Ni0.125Fe2O4: as an efficient and eco-friendly nanocatalyst for one-pot synthesis of tetrahydrodipyrazolopyridines and dihydropyrano[2,3-c] pyrazole under mild reaction conditions","authors":"Leili Heidari, Lotfi Shiri","doi":"10.1007/s11164-024-05345-y","DOIUrl":"https://doi.org/10.1007/s11164-024-05345-y","url":null,"abstract":"<p>In this study, the magnetic Mg<sub>0.5</sub>Zn<sub>0.375</sub>Ni<sub>0.125</sub>Fe<sub>2</sub>O<sub>4</sub> nanoparticle was prepared by the co-precipitation method and characterized with various methods, such as FT-IR, XRD, TGA, FESEM, EDX, and VSM. The catalytic activity of this magnetic nanocatalyst was perused in synthesizing dihydropyrano[2,3-c] pyrazole and tetrahydrodipyrazolopyridines derivatives. To indicate some of this paper’s preponderances, preparing a novel heterogeneous magnetic nanocatalyst with high reactivity produces high-yield and purity products. Moreover, the synthesized nanocatalyst has advantages such as high catalytic activity, non-toxicity, short reaction time, easy separation from the reaction mixture using an external magnet, and reusability several times without significant loss in its catalytic activity.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Facile synthesis of mesoporous tungstated zirconia with improved acidity for solvent free Knoevenagel condensation and fine chemical synthesis","authors":"Biplab Roy, Anupam Singha Roy, Asoke Prasun Chattopadhyay","doi":"10.1007/s11164-024-05334-1","DOIUrl":"https://doi.org/10.1007/s11164-024-05334-1","url":null,"abstract":"<p>Single step surfactant assisted sol–gel technique was adapted to synthesize mesoporous tungstated zirconia (m-WZ). Amorphous WZs, with high surface area, were synthesized after calcination of as-synthesized materials at 550 °C for 6 h. These materials were well characterized by powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FTIR) and Raman spectroscopy. Textural properties were established from N<sub>2</sub> adsorption–desorption isotherm, Scanning electron microscope (SEM) and Transmission electron microscopy (TEM). Pyridine adsorbed FTIR and NH<sub>3</sub>-TPD revealed reasonable amount of Brønsted and Lewis acid sites of m-WZs. m-WZs exhibited outstanding catalytic activities toward solvent free Knoevenagel condensation reaction of different aromatic aldehydes with malononitrile and ethyl cyanoacetate at room temperature. The developed catalysts were also employed to synthesize different industrially important fine chemicals. These catalysts had longer reusability and no visible drops were observed in catalytic activity even after several runs.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mahnoush Beygisangchin, Suraya Abdul Rashid, Suhaidi Shafie, Siti Kartom Kamarudin
{"title":"Synthesis and characterization of polyaniline-graphene quantum dots and their potential for Pyrene detection using photoluminescence spectroscopy","authors":"Mahnoush Beygisangchin, Suraya Abdul Rashid, Suhaidi Shafie, Siti Kartom Kamarudin","doi":"10.1007/s11164-024-05340-3","DOIUrl":"https://doi.org/10.1007/s11164-024-05340-3","url":null,"abstract":"<p>The detection of Pyrene, a toxic polycyclic aromatic hydrocarbon, is crucial for environmental monitoring due to its negative impacts on health and ecosystems. While photoluminescence (PL) spectroscopy holds promise for Pyrene detection, its current application is limited. This research aimed to address this gap by developing a novel PL spectroscopy method for Pyrene detection. The method utilizes a simple, low limit of detection (LOD), affordable, rapid, and user-friendly approach. A polyaniline-graphene quantum dot (PANI-GQD) nanocomposite film was synthesized as the sensing layer. For comparison, PL spectroscopy measurements were also taken using GQD and PANI alone. The fabricated thin films were thoroughly characterized using various techniques (FT-IR, UV–Vis, Raman, XRD, FE-SEM, EDX, TGA) to analyze their chemical, optical, physical, and structural properties. The developed PANI-GQD nanocomposite film-based PL spectroscopy successfully detected Pyrene concentrations ranging from 0.001 to 10 × 10<sup>–9</sup> mol L<sup>−1</sup>. Notably, the method achieved an outstanding LOD of 0.40 × 10<sup>–9</sup> mol L<sup>−1</sup> (S/N = 5) for low-concentration Pyrene detection, surpassing previous limitations. This LOD is well within the WHO's set standards for Pyrene in aquatic environments (3.461 × 10<sup>–9</sup> mol L<sup>−1</sup>). Overall, this research presents a valuable tool for detecting toxic materials relevant to environmental monitoring, with potential for significant socio-economic impact.</p>","PeriodicalId":753,"journal":{"name":"Research on Chemical Intermediates","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570164","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}